Cas no 647027-75-6 (4-Pentenamide, N-butyl-N-chloro-)
647027-75-6 structure
Product Name:4-Pentenamide, N-butyl-N-chloro-
CAS No:647027-75-6
MF:C9H16ClNO
MW:189.682441711426
CID:417998
PubChem ID:71378992
Update Time:2025-04-19
4-Pentenamide, N-butyl-N-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pentenamide, N-butyl-N-chloro-
- N-butyl-N-chloropent-4-enamide
- DTXSID10801585
- 647027-75-6
-
- Inchi： 1S/C9H16ClNO/c1-3-5-7-9(12)11(10)8-6-4-2/h3H,1,4-8H2,2H3
- InChI Key： HAUJAYONWUEYRH-UHFFFAOYSA-N
- SMILES： ClN(C(CCC=C)=O)CCCC
Computed Properties
- Exact Mass: 189.09218
- Monoisotopic Mass: 189.0920418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 148
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
4-Pentenamide, N-butyl-N-chloro- Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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